2-[4-[(2-azanyl-1-benzothiophen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-azanyl-1-benzothiophen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-aminobenzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-amino-1-benzothiophen-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-amino-1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-aminobenzothiophene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(SC3=CC=CC=C32)N)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(SC3=CC=CC=C32)N)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18N4O3S2/c21-13-14-5-1-4-8-17(14)29(26,27)24-11-9-23(10-12-24)20(25)18-15-6-2-3-7-16(15)28-19(18)22/h1-8H,9-12,22H2